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	hartrees
Energy at 0K	-130.413392
Energy at 298.15K	-130.414480
HF Energy	-130.413392
Nuclear repulsion energy	28.823032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3731	3551	80.87
2	A'	1270	1208	24.26
3	A'	1152	1097	177.84

Atom	x (Å)	y (Å)
N1	0.057	0.761
O2	0.057	-0.556
H3	-0.860	-0.879

	N1	O2	H3
N1		1.3173	1.8786
O2	1.3173		0.9720
H3	1.8786	0.9720

Number	Element	Mulliken
1	N	-0.221
2	O	-0.151
3	H	0.372

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.837	-1.441	0.000	2.335
CHELPG
AIM
ESP

	x	y	z
x	1.537	0.204	0.000
y	0.204	2.534	0.000
z	0.000	0.000	1.348

<r²>	15.111
(<r²>)^1/2	3.887